2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine

C10H21N5 — CID 167285995

IUPAC2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine
SMILESC=NN/C(=N\CC)N[C@@H]1CCCN(C)C1
InChIInChI=1S/C10H21N5/c1-4-12-10(14-11-2)13-9-6-5-7-15(3)8-9/h9H,2,4-8H2,1,3H3,(H2,12,13,14)/t9-/m1/s1
InChIKeyYDAPHMQKFBTCFP-SECBINFHSA-N
MW211.31 g/mol
LogP0.25
Rot. Bonds3

About 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine

2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine (PubChem CID 167285995) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine.

Molecular Properties

Compound Name2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine
PubChem CID167285995
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine
SMILESC=NN/C(=N\CC)N[C@@H]1CCCN(C)C1
InChIInChI=1S/C10H21N5/c1-4-12-10(14-11-2)13-9-6-5-7-15(3)8-9/h9H,2,4-8H2,1,3H3,(H2,12,13,14)/t9-/m1/s1
InChIKeyYDAPHMQKFBTCFP-SECBINFHSA-N
XLogP0.25
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine?
The IUPAC name of 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine (CID 167285995) is 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine.
What is the SMILES notation for 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine?
The canonical SMILES for 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine is C=NN/C(=N\CC)N[C@@H]1CCCN(C)C1.
What is the InChIKey of 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine?
The InChIKey is YDAPHMQKFBTCFP-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N5/c1-4-12-10(14-11-2)13-9-6-5-7-15(3)8-9/h9H,2,4-8H2,1,3H3,(H2,12,13,14)/t9-/m1/s1.
What are the key properties of 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine?
2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine has a molecular weight of 211.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(methylideneamino)-3-[(3R)-1-methylpiperidin-3-yl]guanidine is sourced from PubChem (CID 167285995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).